2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C17H11Cl2N5S — CID 44569785

IUPAC2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESClc1cccc(Cl)c1Nc1nc2c(Nc3ccccc3)ncnc2s1
InChIInChI=1S/C17H11Cl2N5S/c18-11-7-4-8-12(19)13(11)23-17-24-14-15(20-9-21-16(14)25-17)22-10-5-2-1-3-6-10/h1-9H,(H,23,24)(H,20,21,22)
InChIKeyDTIFSMOASCVIGO-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.88
Rot. Bonds4

About 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 44569785) has the molecular formula C17H11Cl2N5S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID44569785
Molecular FormulaC17H11Cl2N5S
Molecular Weight388.28 g/mol
Exact Mass387.01
IUPAC Name2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESClc1cccc(Cl)c1Nc1nc2c(Nc3ccccc3)ncnc2s1
InChIInChI=1S/C17H11Cl2N5S/c18-11-7-4-8-12(19)13(11)23-17-24-14-15(20-9-21-16(14)25-17)22-10-5-2-1-3-6-10/h1-9H,(H,23,24)(H,20,21,22)
InChIKeyDTIFSMOASCVIGO-UHFFFAOYSA-N
XLogP5.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 44569785) is 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Clc1cccc(Cl)c1Nc1nc2c(Nc3ccccc3)ncnc2s1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is DTIFSMOASCVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5S/c18-11-7-4-8-12(19)13(11)23-17-24-14-15(20-9-21-16(14)25-17)22-10-5-2-1-3-6-10/h1-9H,(H,23,24)(H,20,21,22).
What are the key properties of 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 388.28 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 44569785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).